SCHEMBL13444463

SCHEMBL13444463

Cc1ccc2c(c1)cc(-c1ccc(-c3cc4cc(C)ccc4n3C)cc1)n2C

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.53
RXFP1 Q9HBX9 2/20 0.52
MAPT P10636 1/20 0.52
CYP19A1 P11511 1/20 0.47
THRB P10828 1/20 0.44
APP P05067 4/20 0.43
MAOA P21397 3/20 0.41
MAOB P27338 3/20 0.41
ADORA2B P29275 1/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 2/20 0.41
CYP2A6 P11509 2/20 0.41
MEN1 O00255 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL18470544 0.91 MAPT (0.49) KMT2ARXFP1MAPTCYP19A1THRB
SCHEMBL6489298 0.91 KMT2A (0.46) KMT2ARXFP1MAPTCYP19A1THRB
SCHEMBL11686956 0.91 KMT2A (0.46) KMT2ARXFP1MAPTCYP19A1THRB
SCHEMBL11662919 0.91 KMT2A (0.68) KMT2ARXFP1MAPTCYP19A1THRB
SCHEMBL18470539 0.87 KMT2A (0.42) KMT2ARXFP1MAPTCYP19A1THRB
SCHEMBL22005143 0.83 ACLY (0.48) KMT2ARXFP1MAPTCYP19A1THRB
SCHEMBL6478331 0.82 MAPT (0.62) RXFP1MAPTTHRBADORA2BLMNA
SCHEMBL3686929 0.81 KMT2A (0.76) KMT2ARXFP1MAPTCYP19A1APP
SCHEMBL18470558 0.80 KMT2A (0.46) KMT2ARXFP1MAPTCYP19A1MAOA
SCHEMBL7947787 0.79 CYP2A6 (0.49) KMT2AMAPTCYP19A1MAOAMAOB

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100073602-A1 INDOLE COMPOUND-CONTAINING COMPOSITION AND LIGHT-EMITTING DEVICE USING THE COMPOSITION SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2010-03-25 US disclosed